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Compound Detail

CHEMBL398364

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COC(=O)c1ccccc1NC(=O)c1cccc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398364
Phase Preclinical
Structure Type MOL
InChI Key JOSFHLUTLFZGFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
2.73
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H15NO4
MW 285.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
17197180 10.1016/j.bmcl.2006.12.038 NON-PROTEIN TARGET 4
20615711 10.1016/j.bmc.2010.06.034 Molecular identity unknown 1
20615711 10.1016/j.bmc.2010.06.034 ADMET 1

Data from ChEMBL 36 via Core Engine